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CAS No.: | 17288-36-7 |
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Name: | 5-Methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8N2O3 |
Molecular Weight: | 192.174 |
Synonyms: | 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-methoxy-; |
Density: | 1.459 g/cm3 |
Boiling Point: | 458.4 °C at 760 mmHg |
Flash Point: | 231 °C |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
PSA: | 75.21000 |
LogP: | 1.26970 |
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The IUPAC name of this chemical is 5-Methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid. With the CAS registry number 17288-36-7, it is also named as 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-methoxy-. In addition, the molecular formula is C9H8N2O3 and the molecular weight is 192.17. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.41; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 75.21 Å2; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 50.22 cm3; (12)Molar Volume: 131.6 cm3; (13)Polarizability: 19.91 ×10-24cm3; (14)Surface Tension: 72.1 dyne/cm; (15)Density: 1.459 g/cm3; (16)Flash Point: 231 °C; (17)Enthalpy of Vaporization: 75.73 kJ/mol; (18)Boiling Point: 458.4 °C at 760 mmHg; (19)Vapour Pressure: 3.38E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2cc(ncc2n1)OC
(2)InChI: InChI=1/C9H8N2O3/c1-14-8-3-5-2-6(9(12)13)11-7(5)4-10-8/h2-4,11H,1H3,(H,12,13)
(3)InChIKey: FDTMPCXUIHRSEB-UHFFFAOYAN